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	hartrees
Energy at 0K	-50.761868
Energy at 298.15K	-50.761937
HF Energy	-50.761868
Nuclear repulsion energy	15.391821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2814	2688	0.00
2	Σ_g	1276	1219	0.00
3	Σ_u	2773	2648	29.25
4	Π_g	594	567	0.00
4	Π_g	594	567	0.00
5	Π_u	618	590	0.12
5	Π_u	618	590	0.12

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.753
B2	0.000	0.000	-0.753
H3	0.000	0.000	1.929
H4	0.000	0.000	-1.929

	B1	B2	H3	H4
B1		1.5066	1.1758	2.6823
B2	1.5066		2.6823	1.1758
H3	1.1758	2.6823		3.8581
H4	2.6823	1.1758	3.8581

Number	Element	Mulliken
1	B	-0.120
2	B	-0.120
3	H	0.120
4	H	0.120

All results from a given calculation for HBBH (Diborane(2))

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	21.509
(<r²>)^1/2	4.638